/* -------------------------------------------------------------------------- *
 *                                   OpenMM                                   *
 * -------------------------------------------------------------------------- *
 * This is part of the OpenMM molecular simulation toolkit originating from   *
 * Simbios, the NIH National Center for Physics-Based Simulation of           *
 * Biological Structures at Stanford, funded under the NIH Roadmap for        *
 * Medical Research, grant U54 GM072970. See https://simtk.org.               *
 *                                                                            *
 * Portions copyright (c) 2012 Stanford University and the Authors.           *
 * Authors: Peter Eastman                                                     *
 * Contributors:                                                              *
 *                                                                            *
 * Permission is hereby granted, free of charge, to any person obtaining a    *
 * copy of this software and associated documentation files (the "Software"), *
 * to deal in the Software without restriction, including without limitation  *
 * the rights to use, copy, modify, merge, publish, distribute, sublicense,   *
 * and/or sell copies of the Software, and to permit persons to whom the      *
 * Software is furnished to do so, subject to the following conditions:       *
 *                                                                            *
 * The above copyright notice and this permission notice shall be included in *
 * all copies or substantial portions of the Software.                        *
 *                                                                            *
 * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR *
 * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,   *
 * FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL    *
 * THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM,    *
 * DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR      *
 * OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE  *
 * USE OR OTHER DEALINGS IN THE SOFTWARE.                                     *
 * -------------------------------------------------------------------------- */

#include "openmm/VirtualSite.h"
#include "openmm/OpenMMException.h"
#include <vector>

using namespace OpenMM;
using namespace std;

void VirtualSite::setParticles(const vector<int>& particleIndices) {
    particles = particleIndices;
}

int VirtualSite::getNumParticles() const {
    return particles.size();
}

int VirtualSite::getParticle(int particle) const {
    return particles[particle];
}

VirtualSite::TwoParticleAverage::TwoParticleAverage(int particle1, int particle2, double weight1, double weight2) :
        weight1(weight1), weight2(weight2) {
    vector<int> particles(2);
    particles[0] = particle1;
    particles[1] = particle2;
    setParticles(particles);
}

double VirtualSite::TwoParticleAverage::getWeight(int particle) const {
    if (particle == 0)
        return weight1;
    if (particle == 1)
        return weight2;
    throw OpenMMException("Illegal index for particle");
}

VirtualSite::ThreeParticleAverage::ThreeParticleAverage(int particle1, int particle2, int particle3, double weight1, double weight2, double weight3) :
        weight1(weight1), weight2(weight2), weight3(weight3) {
    vector<int> particles(3);
    particles[0] = particle1;
    particles[1] = particle2;
    particles[2] = particle3;
    setParticles(particles);
}

double VirtualSite::ThreeParticleAverage::getWeight(int particle) const {
    if (particle == 0)
        return weight1;
    if (particle == 1)
        return weight2;
    if (particle == 2)
        return weight3;
    throw OpenMMException("Illegal index for particle");
}

VirtualSite::OutOfPlane::OutOfPlane(int particle1, int particle2, int particle3, double weight12, double weight13, double weightCross) :
        weight12(weight12), weight13(weight13), weightCross(weightCross) {
    vector<int> particles(3);
    particles[0] = particle1;
    particles[1] = particle2;
    particles[2] = particle3;
    setParticles(particles);
}

double VirtualSite::OutOfPlane::getWeight12() const {
    return weight12;
}

double VirtualSite::OutOfPlane::getWeight13() const {
    return weight13;
}

double VirtualSite::OutOfPlane::getWeightCross() const {
    return weightCross;
}